Monomers

3-Methoxycarbonylbut-3-enoate

Identifiers

IUPAC name
3-methoxycarbonylbut-3-enoate
InchI
InChI=1S/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)/p-1
InchI Key
KBFJHOCTSIMQKL-UHFFFAOYSA-M
SMILES
[O-]C(=O)CC(=C)C(=O)OC
Canonical SMILES
COC(=O)C(=C)CC(=O)[O-]
Isomeric SMILES
COC(=O)C(=C)CC(=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7O4-
Heavy Atom Count
10
Molecular Weight
143.118
Exact Molecular Weight
143.035
Valence Electrons
56
Radical Electrons
0
tPSA
66.43
MolLogP
-1.1444
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -3.7501    1.0990   -0.6386 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4665    0.7774   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114    1.5656    0.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664   -0.4565   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.7019   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -1.8214    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    0.2240   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    1.2761   -1.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777    0.0056    0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445    0.9322   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5394   -1.3103   -0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.3691   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -2.0192    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880   -2.5434    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4353    1.1173    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105    1.8581   -0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    0.3664   -0.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
 10 15  1  0
 10 16  1  0
 10 17  1  0
M  CHG  1   1  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers